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299207-80-0 | N-[4-(benzyloxy)phenyl]-N'-(1H-indol-5-yl)thiourea
CAS No: 299207-80-0 Catalog No: AG01CAY3 MDL No:MFCD00278602
Product Description
Catalog Number:
AG01CAY3
Chemical Name:
N-[4-(benzyloxy)phenyl]-N'-(1H-indol-5-yl)thiourea
CAS Number:
299207-80-0
Molecular Formula:
C22H19N3OS
Molecular Weight:
373.4708
MDL Number:
MFCD00278602
IUPAC Name:
1-(1H-indol-5-yl)-3-(4-phenylmethoxyphenyl)thiourea
InChI:
InChI=1S/C22H19N3OS/c27-22(25-19-8-11-21-17(14-19)12-13-23-21)24-18-6-9-20(10-7-18)26-15-16-4-2-1-3-5-16/h1-14,23H,15H2,(H2,24,25,27)
InChI Key:
RQCRWMUSOFNJKF-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccc2c(c1)cc[nH]2)Nc1ccc(cc1)OCc1ccccc1
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.125g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
373.474g/mol
Monoisotopic Mass:
373.125g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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